3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

C12H9N3OS — CID 117146074

IUPAC3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESCc1ccc(-c2nnc3c(C=O)cccn23)s1
InChIInChI=1S/C12H9N3OS/c1-8-4-5-10(17-8)12-14-13-11-9(7-16)3-2-6-15(11)12/h2-7H,1H3
InChIKeyAXPGABHNUUFQPF-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.58
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (PubChem CID 117146074) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
PubChem CID117146074
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESCc1ccc(-c2nnc3c(C=O)cccn23)s1
InChIInChI=1S/C12H9N3OS/c1-8-4-5-10(17-8)12-14-13-11-9(7-16)3-2-6-15(11)12/h2-7H,1H3
InChIKeyAXPGABHNUUFQPF-UHFFFAOYSA-N
XLogP2.58
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(6-ethyl-1,3-benzothiazol-2-yl)amino]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 143877197
3-amino-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde
CID 96630352
3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 117145916
methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147661
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine
CID 117252348
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538376
[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 82417710
2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137079
2-[(dimethylamino)methyl]-4-(5-methylthiophen-2-yl)benzaldehyde
CID 144576316
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
3-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 117146022

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (CID 117146074) is 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is Cc1ccc(-c2nnc3c(C=O)cccn23)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The InChIKey is AXPGABHNUUFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-4-5-10(17-8)12-14-13-11-9(7-16)3-2-6-15(11)12/h2-7H,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117146074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).